MJY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C11 | sing | 1.89Å | 1.90Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.50Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C7 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C6 | sing | 1.46Å | 1.46Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C21 | sing | 1.35Å | 1.36Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | C14 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| C15 | N2 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C22 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | N4 | sing | 1.40Å | 1.40Å | |
| N2 | C4 | sing | 1.47Å | 1.46Å | |
| C16 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| N4 | C2 | sing | 1.48Å | 1.49Å | |
| N4 | C23 | sing | 1.48Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C23 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| N1 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C11 | C12 | 119.9° | 119.9° |
| BR1 | C11 | C10 | 118.8° | 119.9° |
| C11 | C12 | C13 | 119.1° | 120.2° |
| C12 | C11 | C10 | 121.3° | 120.2° |
| C11 | C12 | H5 | 120.5° | 119.9° |
| C12 | C13 | C8 | 120.5° | 119.8° |
| C13 | C12 | H5 | 120.5° | 119.9° |
| C12 | C13 | H6 | 119.7° | 120.1° |
| C11 | C10 | C9 | 119.2° | 120.2° |
| C11 | C10 | H4 | 120.4° | 119.9° |
| C13 | C8 | C9 | 119.1° | 119.8° |
| C13 | C8 | C7 | 124.7° | 120.1° |
| C8 | C13 | H6 | 119.7° | 120.0° |
| C10 | C9 | C8 | 120.8° | 119.9° |
| C10 | C9 | H3 | 119.6° | 120.0° |
| C9 | C10 | H4 | 120.4° | 119.9° |
| C9 | C8 | C7 | 116.1° | 120.1° |
| C8 | C9 | H3 | 119.6° | 120.1° |
| C8 | C7 | O2 | 121.0° | 120.0° |
| C8 | C7 | N3 | 116.0° | 120.0° |
| O2 | C7 | N3 | 122.2° | 120.0° |
| C7 | N3 | C6 | 121.5° | 120.0° |
| C7 | N3 | H25 | 119.3° | 120.0° |
| N3 | C6 | C5 | 110.0° | 109.4° |
| N3 | C6 | C14 | 110.6° | 109.5° |
| N3 | C6 | H24 | 108.7° | 109.5° |
| C6 | N3 | H25 | 119.2° | 120.0° |
| C19 | C20 | C21 | 118.5° | 120.1° |
| C20 | C19 | C18 | 121.0° | 120.1° |
| C20 | C19 | H18 | 119.5° | 120.0° |
| C19 | C20 | H19 | 120.7° | 119.9° |
| C20 | C21 | F1 | 118.9° | 120.0° |
| C20 | C21 | C22 | 122.3° | 120.0° |
| C21 | C20 | H19 | 120.8° | 119.9° |
| C19 | C18 | C17 | 120.0° | 119.9° |
| C19 | C18 | H17 | 120.0° | 120.0° |
| C18 | C19 | H18 | 119.5° | 119.9° |
| F1 | C21 | C22 | 118.7° | 120.0° |
| C21 | C22 | C17 | 119.6° | 119.9° |
| C21 | C22 | H20 | 120.2° | 120.0° |
| C5 | C6 | C14 | 111.8° | 109.5° |
| C6 | C5 | N2 | 112.6° | 109.5° |
| C6 | C5 | H10 | 108.7° | 109.5° |
| C6 | C5 | H11 | 108.7° | 109.4° |
| C5 | C6 | H24 | 107.7° | 109.5° |
| C6 | C14 | H7 | 109.5° | 109.5° |
| C6 | C14 | H8 | 109.5° | 109.4° |
| C6 | C14 | H9 | 109.4° | 109.5° |
| C14 | C6 | H24 | 108.0° | 109.5° |
| C18 | C17 | C22 | 118.6° | 119.9° |
| C18 | C17 | N4 | 121.6° | 120.0° |
| C17 | C18 | H17 | 120.0° | 120.0° |
| C5 | N2 | C15 | 111.0° | 111.0° |
| C5 | N2 | C4 | 111.3° | 111.0° |
| N2 | C5 | H10 | 108.7° | 109.5° |
| N2 | C5 | H11 | 108.7° | 109.5° |
| N2 | C15 | C16 | 110.9° | 109.5° |
| C15 | N2 | C4 | 108.0° | 111.3° |
| N2 | C15 | H1 | 109.1° | 109.5° |
| N2 | C15 | H2 | 109.1° | 109.5° |
| C15 | C16 | C2 | 115.7° | 109.3° |
| C16 | C15 | H1 | 109.1° | 109.5° |
| C16 | C15 | H2 | 109.1° | 109.5° |
| C15 | C16 | H21 | 107.9° | 109.5° |
| C15 | C16 | H22 | 107.9° | 109.5° |
| C22 | C17 | N4 | 119.8° | 120.1° |
| C17 | C22 | H20 | 120.2° | 120.1° |
| C17 | N4 | C2 | 127.7° | 111.0° |
| C17 | N4 | C23 | 119.5° | 111.0° |
| N2 | C4 | C3 | 110.8° | 109.4° |
| N2 | C4 | H14 | 109.1° | 109.4° |
| N2 | C4 | H15 | 109.2° | 109.5° |
| C16 | C2 | N4 | 116.0° | 110.1° |
| C16 | C2 | C3 | 110.9° | 110.3° |
| C16 | C2 | C1 | 106.3° | 110.5° |
| C2 | C16 | H21 | 107.9° | 109.5° |
| C2 | C16 | H22 | 107.9° | 109.5° |
| C4 | C3 | C2 | 116.2° | 109.3° |
| C4 | C3 | H12 | 107.8° | 109.5° |
| C4 | C3 | H13 | 107.8° | 109.5° |
| C3 | C4 | H14 | 109.1° | 109.5° |
| C3 | C4 | H15 | 109.1° | 109.5° |
| C2 | N4 | C23 | 112.7° | 103.0° |
| N4 | C2 | C3 | 115.6° | 110.1° |
| N4 | C2 | C1 | 100.5° | 105.3° |
| N4 | C23 | N1 | 102.4° | 106.2° |
| N4 | C23 | H23 | 111.2° | 110.1° |
| N4 | C23 | H16 | 111.2° | 110.2° |
| C3 | C2 | C1 | 106.0° | 110.4° |
| C2 | C3 | H12 | 107.8° | 109.5° |
| C2 | C3 | H13 | 107.8° | 109.5° |
| C2 | C1 | N1 | 109.7° | 108.3° |
| C2 | C1 | O1 | 125.1° | 125.8° |
| C23 | N1 | C1 | 113.9° | 109.6° |
| N1 | C23 | H23 | 111.2° | 110.1° |
| N1 | C23 | H16 | 111.2° | 110.1° |
| C23 | N1 | H26 | 123.0° | 125.3° |
| N1 | C1 | O1 | 125.2° | 125.9° |
| C1 | N1 | H26 | 123.1° | 125.1° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.4° |
| H10 | C5 | H11 | 109.4° | 109.4° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.4° | 109.5° |
| H23 | C23 | H16 | 109.4° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C11 | C12 | C10 | 179.0° | 180.0° |
| BR1 | C11 | C12 | C13 | 179.3° | 179.7° |
| BR1 | C11 | C10 | C9 | 179.5° | 180.0° |
| BR1 | C11 | C10 | H4 | 0.5° | 0.0° |
| BR1 | C11 | C12 | H5 | 0.7° | 0.0° |
| C11 | C12 | C13 | H5 | 180.0° | 179.7° |
| C11 | C12 | C13 | C8 | 0.7° | 0.5° |
| C12 | C11 | C10 | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | H4 | 179.5° | 180.0° |
| C11 | C12 | C13 | H6 | 179.3° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.3° |
| C12 | C13 | C8 | H6 | 180.0° | 179.4° |
| C12 | C13 | C8 | C9 | 1.5° | 0.5° |
| C12 | C13 | C8 | C7 | 178.2° | 179.7° |
| C11 | C10 | C9 | H4 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.0° |
| C11 | C10 | C9 | H3 | 179.7° | 180.0° |
| C10 | C11 | C12 | H5 | 179.7° | 180.0° |
| C13 | C8 | C9 | C10 | 1.3° | 0.2° |
| C13 | C8 | C9 | C7 | 177.0° | 179.8° |
| C13 | C8 | C7 | O2 | 6.9° | 179.7° |
| C13 | C8 | C7 | N3 | 177.2° | 0.2° |
| C13 | C8 | C9 | H3 | 178.7° | 179.7° |
| C8 | C13 | C12 | H5 | 179.3° | 179.8° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 178.2° | 180.0° |
| C9 | C8 | C7 | O2 | 169.9° | 0.1° |
| C9 | C8 | C7 | N3 | 0.4° | 180.0° |
| C8 | C9 | C10 | H4 | 179.7° | 180.0° |
| C9 | C8 | C13 | H6 | 178.5° | 180.0° |
| C8 | C7 | O2 | N3 | 169.7° | 179.9° |
| C8 | C7 | N3 | C6 | 126.8° | 180.0° |
| C7 | C8 | C9 | H3 | 1.7° | 0.0° |
| C7 | C8 | C13 | H6 | 1.8° | 0.3° |
| C8 | C7 | N3 | H25 | 53.2° | 0.0° |
| O2 | C7 | N3 | C6 | 43.3° | 0.0° |
| O2 | C7 | N3 | H25 | 136.7° | 180.0° |
| C7 | N3 | C6 | H25 | 180.0° | 180.0° |
| C7 | N3 | C6 | C5 | 119.1° | 155.0° |
| C7 | N3 | C6 | C14 | 116.9° | 85.0° |
| C7 | N3 | C6 | H24 | 1.5° | 35.0° |
| N3 | C6 | C5 | C14 | 123.3° | 120.0° |
| N3 | C6 | C5 | H24 | 118.2° | 120.0° |
| N3 | C6 | C14 | H24 | 118.8° | 120.0° |
| N3 | C6 | C5 | N2 | 151.6° | 55.0° |
| N3 | C6 | C14 | H7 | 180.0° | 180.0° |
| N3 | C6 | C14 | H8 | 60.0° | 60.0° |
| N3 | C6 | C14 | H9 | 60.0° | 60.0° |
| N3 | C6 | C5 | H10 | 87.9° | 65.1° |
| N3 | C6 | C5 | H11 | 31.1° | 175.0° |
| C19 | C20 | C21 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C20 | C21 | F1 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C20 | C19 | C18 | H17 | 179.8° | 179.7° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C21 | F1 | C22 | 179.8° | 179.9° |
| C20 | C21 | C22 | C17 | 0.3° | 0.1° |
| C21 | C20 | C19 | H18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H20 | 179.6° | 180.0° |
| C19 | C18 | C17 | H17 | 180.0° | 179.7° |
| C19 | C18 | C17 | C22 | 0.2° | 0.0° |
| C19 | C18 | C17 | N4 | 180.0° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| F1 | C21 | C22 | C17 | 179.9° | 180.0° |
| F1 | C21 | C20 | H19 | 0.0° | 0.1° |
| F1 | C21 | C22 | H20 | 0.1° | 0.0° |
| C21 | C22 | C17 | C18 | 0.1° | 0.0° |
| C21 | C22 | C17 | H20 | 180.0° | 179.9° |
| C21 | C22 | C17 | N4 | 179.7° | 179.8° |
| C22 | C21 | C20 | H19 | 179.7° | 180.0° |
| C5 | C6 | C14 | H24 | 118.3° | 120.0° |
| C6 | C5 | N2 | H10 | 120.5° | 120.0° |
| C6 | C5 | N2 | H11 | 120.5° | 120.0° |
| C6 | C5 | N2 | C15 | 66.0° | 170.0° |
| C6 | C5 | N2 | C4 | 173.8° | 65.6° |
| C5 | C6 | C14 | H7 | 57.1° | 60.0° |
| C5 | C6 | C14 | H8 | 177.1° | 180.0° |
| C5 | C6 | C14 | H9 | 62.9° | 60.0° |
| C6 | C5 | H10 | H11 | 118.6° | 119.9° |
| C5 | C6 | N3 | H25 | 60.9° | 25.0° |
| C14 | C6 | C5 | N2 | 85.1° | 175.0° |
| C6 | C14 | H7 | H8 | 120.0° | 120.0° |
| C6 | C14 | H7 | H9 | 120.0° | 120.0° |
| C6 | C14 | H8 | H9 | 120.0° | 120.0° |
| C14 | C6 | C5 | H10 | 35.4° | 54.9° |
| C14 | C6 | C5 | H11 | 154.4° | 65.0° |
| C14 | C6 | N3 | H25 | 63.1° | 95.0° |
| C18 | C17 | C22 | N4 | 179.9° | 179.7° |
| C18 | C17 | N4 | C2 | 5.4° | 104.4° |
| C18 | C17 | N4 | C23 | 174.4° | 141.6° |
| C17 | C18 | C19 | H18 | 179.7° | 180.0° |
| C18 | C17 | C22 | H20 | 179.9° | 180.0° |
| C5 | N2 | C15 | C4 | 122.2° | 124.2° |
| C5 | N2 | C15 | C16 | 172.3° | 173.7° |
| C5 | N2 | C4 | C3 | 173.3° | 173.7° |
| C5 | N2 | C15 | H1 | 67.5° | 66.3° |
| C5 | N2 | C15 | H2 | 52.1° | 53.7° |
| N2 | C5 | H10 | H11 | 118.6° | 120.0° |
| C5 | N2 | C4 | H14 | 53.1° | 66.3° |
| C5 | N2 | C4 | H15 | 66.5° | 53.7° |
| N2 | C5 | C6 | H24 | 33.3° | 65.0° |
| N2 | C15 | C16 | H1 | 120.2° | 120.0° |
| N2 | C15 | C16 | H2 | 120.2° | 120.0° |
| N2 | C15 | C16 | C2 | 52.0° | 58.4° |
| C15 | N2 | C4 | C3 | 64.7° | 62.1° |
| N2 | C15 | H1 | H2 | 119.3° | 120.0° |
| C15 | N2 | C5 | H10 | 173.6° | 50.0° |
| C15 | N2 | C5 | H11 | 54.5° | 70.0° |
| C15 | N2 | C4 | H14 | 175.1° | 57.8° |
| C15 | N2 | C4 | H15 | 55.5° | 177.9° |
| N2 | C15 | C16 | H21 | 172.9° | 178.3° |
| N2 | C15 | C16 | H22 | 68.9° | 61.6° |
| C16 | C15 | N2 | C4 | 65.5° | 62.1° |
| C15 | C16 | C2 | H21 | 120.9° | 119.9° |
| C15 | C16 | C2 | H22 | 120.9° | 120.0° |
| C15 | C16 | C2 | N4 | 99.0° | 65.2° |
| C15 | C16 | C2 | C3 | 35.5° | 56.5° |
| C15 | C16 | C2 | C1 | 150.3° | 178.9° |
| C16 | C15 | H1 | H2 | 119.4° | 120.0° |
| C15 | C16 | H21 | H22 | 117.1° | 120.1° |
| C22 | C17 | N4 | C2 | 174.8° | 75.8° |
| C22 | C17 | N4 | C23 | 5.4° | 38.2° |
| C22 | C17 | C18 | H17 | 179.8° | 179.7° |
| C17 | N4 | C2 | C16 | 74.7° | 96.2° |
| C17 | N4 | C2 | C23 | 179.8° | 118.9° |
| C17 | N4 | C2 | C3 | 57.7° | 25.7° |
| C17 | N4 | C2 | C1 | 171.3° | 144.7° |
| C17 | N4 | C23 | N1 | 173.6° | 145.5° |
| N4 | C17 | C18 | H17 | 0.0° | 0.0° |
| N4 | C17 | C22 | H20 | 0.3° | 0.3° |
| C17 | N4 | C23 | H23 | 54.7° | 95.4° |
| C17 | N4 | C23 | H16 | 67.5° | 26.2° |
| N2 | C4 | C3 | H14 | 120.2° | 119.9° |
| N2 | C4 | C3 | H15 | 120.2° | 120.0° |
| N2 | C4 | C3 | C2 | 50.8° | 58.4° |
| C4 | N2 | C15 | H1 | 54.8° | 57.8° |
| C4 | N2 | C15 | H2 | 174.3° | 177.8° |
| C4 | N2 | C5 | H10 | 53.3° | 174.3° |
| C4 | N2 | C5 | H11 | 65.8° | 54.4° |
| N2 | C4 | C3 | H12 | 70.2° | 61.6° |
| N2 | C4 | C3 | H13 | 171.8° | 178.3° |
| N2 | C4 | H14 | H15 | 119.4° | 120.1° |
| C16 | C2 | C3 | C4 | 35.0° | 56.5° |
| C16 | C2 | N4 | C3 | 132.4° | 121.9° |
| C16 | C2 | N4 | C1 | 114.0° | 119.1° |
| C16 | C2 | N4 | C23 | 105.1° | 145.0° |
| C16 | C2 | C3 | C1 | 115.0° | 122.4° |
| C16 | C2 | C1 | N1 | 113.3° | 135.2° |
| C16 | C2 | C1 | O1 | 65.7° | 44.8° |
| C2 | C16 | C15 | H1 | 68.2° | 61.6° |
| C2 | C16 | C15 | H2 | 172.2° | 178.4° |
| C16 | C2 | C3 | H12 | 85.9° | 63.4° |
| C16 | C2 | C3 | H13 | 156.0° | 176.4° |
| C2 | C16 | H21 | H22 | 117.2° | 120.1° |
| C4 | C3 | C2 | N4 | 99.7° | 65.2° |
| C4 | C3 | C2 | H12 | 121.0° | 120.0° |
| C4 | C3 | C2 | H13 | 121.0° | 119.9° |
| C4 | C3 | C2 | C1 | 150.0° | 178.9° |
| C4 | C3 | H12 | H13 | 117.0° | 120.0° |
| C3 | C4 | H14 | H15 | 119.4° | 120.0° |
| N4 | C2 | C3 | C1 | 110.3° | 115.9° |
| C2 | N4 | C23 | N1 | 6.6° | 26.6° |
| N4 | C2 | C1 | N1 | 8.0° | 16.3° |
| N4 | C2 | C1 | O1 | 173.0° | 163.7° |
| N4 | C2 | C3 | H12 | 139.3° | 174.8° |
| N4 | C2 | C3 | H13 | 21.3° | 54.7° |
| N4 | C2 | C16 | H21 | 21.9° | 54.7° |
| N4 | C2 | C16 | H22 | 140.0° | 174.8° |
| C2 | N4 | C23 | H23 | 125.5° | 145.8° |
| C2 | N4 | C23 | H16 | 112.3° | 92.7° |
| C23 | N4 | C2 | C3 | 122.5° | 93.2° |
| C23 | N4 | C2 | C1 | 8.9° | 25.9° |
| N4 | C23 | N1 | H23 | 118.9° | 119.2° |
| N4 | C23 | N1 | H16 | 118.9° | 119.3° |
| N4 | C23 | N1 | C1 | 1.0° | 17.5° |
| N4 | C23 | H23 | H16 | 123.2° | 121.6° |
| N4 | C23 | N1 | H26 | 178.9° | 162.5° |
| C3 | C2 | C1 | N1 | 128.6° | 102.5° |
| C3 | C2 | C1 | O1 | 52.4° | 77.5° |
| C2 | C3 | H12 | H13 | 117.0° | 120.1° |
| C2 | C3 | C4 | H14 | 171.0° | 61.6° |
| C2 | C3 | C4 | H15 | 69.4° | 178.4° |
| C3 | C2 | C16 | H21 | 156.4° | 176.5° |
| C3 | C2 | C16 | H22 | 85.5° | 63.4° |
| C2 | C1 | N1 | C23 | 4.6° | 0.7° |
| C2 | C1 | N1 | O1 | 179.0° | 180.0° |
| C1 | C2 | C3 | H12 | 29.0° | 59.0° |
| C1 | C2 | C3 | H13 | 89.0° | 61.2° |
| C1 | C2 | C16 | H21 | 88.8° | 61.2° |
| C1 | C2 | C16 | H22 | 29.4° | 59.0° |
| C2 | C1 | N1 | H26 | 175.4° | 179.3° |
| C23 | N1 | C1 | H26 | 180.0° | 180.0° |
| C23 | N1 | C1 | O1 | 176.4° | 179.3° |
| N1 | C23 | H23 | H16 | 123.3° | 121.6° |
| C1 | N1 | C23 | H23 | 119.9° | 136.7° |
| C1 | N1 | C23 | H16 | 117.8° | 101.8° |
| O1 | C1 | N1 | H26 | 3.6° | 0.7° |
| H1 | C15 | C16 | H21 | 52.7° | 58.4° |
| H1 | C15 | C16 | H22 | 170.9° | 178.5° |
| H2 | C15 | C16 | H21 | 66.9° | 61.7° |
| H2 | C15 | C16 | H22 | 51.3° | 58.4° |
| H3 | C9 | C10 | H4 | 0.3° | 0.0° |
| H5 | C12 | C13 | H6 | 0.7° | 0.3° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H7 | C14 | C6 | H24 | 61.2° | 60.0° |
| H8 | C14 | C6 | H24 | 58.8° | 60.0° |
| H9 | C14 | C6 | H24 | 178.8° | 180.0° |
| H10 | C5 | C6 | H24 | 153.8° | 175.0° |
| H11 | C5 | C6 | H24 | 87.1° | 55.0° |
| H12 | C3 | C4 | H14 | 50.0° | 178.4° |
| H12 | C3 | C4 | H15 | 169.6° | 58.4° |
| H13 | C3 | C4 | H14 | 68.0° | 58.4° |
| H13 | C3 | C4 | H15 | 51.6° | 61.7° |
| H17 | C18 | C19 | H18 | 0.2° | 0.3° |
| H18 | C19 | C20 | H19 | 0.0° | 0.1° |
| H23 | C23 | N1 | H26 | 60.0° | 43.3° |
| H24 | C6 | N3 | H25 | 178.5° | 144.9° |
| H16 | C23 | N1 | H26 | 62.2° | 78.3° |
